Kakuol
TL;DR: Kakuol (CAS 18607-90-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-hydroxy-1,3-benzodioxol-5-yl)propan-1-one
Also Known As: Kakuol, Kakoul, 1-(6-hydroxy-1,3-benzodioxol-5-yl)propan-1-one, 6-Propanoyl-1,3-benzodioxole-5-ol, 2-Hydroxy-4,5-methylenedioxypropiophenone
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 18607-90-4 |
|---|---|
| SMILES | CCC(=O)C1=CC2=C(C=C1O)OCO2 |
| InChIKey | SLLMHZXMVHNZOR-UHFFFAOYSA-N |
Product Overview
Kakuol (CAS 18607-90-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 1-(6-hydroxy-1,3-benzodioxol-5-yl)propan-1-one.
Chemical Property Profile of Kakuol
Property Insights of Kakuol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kakuol. With a topological polar surface area (TPSA) of 55.8 Ų, Kakuol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kakuol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kakuol?
The CAS number of Kakuol is 18607-90-4.
What is the molecular formula of Kakuol?
The molecular formula of Kakuol is C10H10O4.
What is the molecular weight of Kakuol?
The molecular weight of Kakuol is 194.06 g/mol.
Where can I buy Kakuol?
You can request a quote for Kakuol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kakuol?
Yes, KEHONG BIO provides custom synthesis services for Kakuol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.